1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide

C14H14N4O2S2 — CID 42284861

IUPAC1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cn(C)nc2-c2ccccc2)n1
InChIInChI=1S/C14H14N4O2S2/c1-10-9-21-14(15-10)17-22(19,20)12-8-18(2)16-13(12)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,17)
InChIKeyMMMRIEQRFJSQKU-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.65
Rot. Bonds4

About 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide

1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide (PubChem CID 42284861) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
PubChem CID42284861
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
SMILESCc1csc(NS(=O)(=O)c2cn(C)nc2-c2ccccc2)n1
InChIInChI=1S/C14H14N4O2S2/c1-10-9-21-14(15-10)17-22(19,20)12-8-18(2)16-13(12)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,17)
InChIKeyMMMRIEQRFJSQKU-UHFFFAOYSA-N
XLogP2.65
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42285010
1-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide
CID 42284864
N-(3,4-dimethylphenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284845
N-(4-fluorophenyl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42345556
2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 114133504
N-(2,4-dioxo-1H-pyrimidin-5-yl)-1-methyl-3-phenylpyrazole-4-sulfonamide
CID 42284888
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62149608
N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-diphenylpyrazole-4-sulfonamide
CID 42285151
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
2-amino-4,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29041434
3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 25047855
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide (CID 42284861) is 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide is Cc1csc(NS(=O)(=O)c2cn(C)nc2-c2ccccc2)n1.
What is the InChIKey of 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
The InChIKey is MMMRIEQRFJSQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-10-9-21-14(15-10)17-22(19,20)12-8-18(2)16-13(12)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,15,17).
What are the key properties of 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide?
1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide has a molecular weight of 334.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42284861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).